Structural-property relationship in actinyl complexes

The increasing demand for low-carbon energy has begun to amplify the development and usage of nuclear power. However, the generated nuclear waste is radiotoxic mainly due to the presence of heavy nuclei, such as actinides along with other fission products. This rises the need for selective remediation and storage of all radioactive actinides using non-toxic extractants. The major goals of this proposed project are twofold, (i) to utilize quantum-chemical calculations to design chemically efficient extractants with enhanced affinity towards actinides and its compounds, (ii) to understand the fundamental behaviour of unique 5f electrons of actinides and its dioxo compounds prior to and on complexation with these extractants.

Faculty Supervisor:

H. Georg Schreckenbach

Student:

Partner:

SRM Institute of Science and Technology

Discipline:

Computer science

Sector:

Environmental Science and Technology; Sustainability & the Environment; Quantum Science

University:

University of Manitoba

Program: